1,2λ4,3,6,9,12-hexathiacyclotetradecane 2-oxide

C8H16OS6 — CID 170686943

IUPAC1,2λ4,3,6,9,12-hexathiacyclotetradecane 2-oxide
SMILESO=S1SCCSCCSCCSCCS1
InChIInChI=1S/C8H16OS6/c9-15-13-7-5-11-3-1-10-2-4-12-6-8-14-15/h1-8H2
InChIKeyGINSHGCGIJSLRG-UHFFFAOYSA-N
MW320.62 g/mol
LogP3.24
Rot. Bonds

About 1,2λ4,3,6,9,12-hexathiacyclotetradecane 2-oxide

1,2λ4,3,6,9,12-hexathiacyclotetradecane 2-oxide (PubChem CID 170686943) has the molecular formula C8H16OS6 and a molecular weight of 320.62 g/mol. Its IUPAC name is 1,2λ4,3,6,9,12-hexathiacyclotetradecane 2-oxide.

Molecular Properties

Compound Name1,2λ4,3,6,9,12-hexathiacyclotetradecane 2-oxide
PubChem CID170686943
Molecular FormulaC8H16OS6
Molecular Weight320.62 g/mol
Exact Mass319.95
IUPAC Name1,2λ4,3,6,9,12-hexathiacyclotetradecane 2-oxide
SMILESO=S1SCCSCCSCCSCCS1
InChIInChI=1S/C8H16OS6/c9-15-13-7-5-11-3-1-10-2-4-12-6-8-14-15/h1-8H2
InChIKeyGINSHGCGIJSLRG-UHFFFAOYSA-N
XLogP3.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.62
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

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1,3-dioxa-2λ4,7,11-trithiacyclotetradecane 2-oxide
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1,4,8-trithiacyclotetradecane
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1,5-dithiocane
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Frequently Asked Questions

What is the IUPAC name of 1,2λ4,3,6,9,12-hexathiacyclotetradecane 2-oxide?
The IUPAC name of 1,2λ4,3,6,9,12-hexathiacyclotetradecane 2-oxide (CID 170686943) is 1,2λ4,3,6,9,12-hexathiacyclotetradecane 2-oxide.
What is the SMILES notation for 1,2λ4,3,6,9,12-hexathiacyclotetradecane 2-oxide?
The canonical SMILES for 1,2λ4,3,6,9,12-hexathiacyclotetradecane 2-oxide is O=S1SCCSCCSCCSCCS1.
What is the InChIKey of 1,2λ4,3,6,9,12-hexathiacyclotetradecane 2-oxide?
The InChIKey is GINSHGCGIJSLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS6/c9-15-13-7-5-11-3-1-10-2-4-12-6-8-14-15/h1-8H2.
What are the key properties of 1,2λ4,3,6,9,12-hexathiacyclotetradecane 2-oxide?
1,2λ4,3,6,9,12-hexathiacyclotetradecane 2-oxide has a molecular weight of 320.62 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2λ4,3,6,9,12-hexathiacyclotetradecane 2-oxide is sourced from PubChem (CID 170686943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).